CID 119011258

4-fluoro-5-iodo-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6FIO2
SMILES
COC1=CC(=C(C=C1C=O)I)F
InChI
InChI=1S/C8H6FIO2/c1-12-8-3-6(9)7(10)2-5(8)4-11/h2-4H,1H3
InChIKey
AGEZCXMRMQABFN-UHFFFAOYSA-N
Compound name
4-fluoro-5-iodo-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.93967 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.94695 138.4
[M+Na]+ 302.92889 141.8
[M-H]- 278.93239 134.7
[M+NH4]+ 297.97349 154.4
[M+K]+ 318.90283 145.8
[M+H-H2O]+ 262.93693 128.8
[M+HCOO]- 324.93787 157.5
[M+CH3COO]- 338.95352 189.0
[M+Na-2H]- 300.91434 132.1
[M]+ 279.93912 137.6
[M]- 279.94022 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.